[2-[[(3R)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-[[(3R)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-(N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-(N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-(N-[(3R)-1,1-diketo-2,3-dihydrothiophen-3-yl]anilino)-2-keto-ethyl] ester Formula: C19H15ClN2O7S MolecularWeight: 450.8496

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1[C@@H](C=CS1(=O)=O)N(C2=CC=CC=C2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H15ClN2O7S/c20-17-7-6-14(22(25)26)10-16(17)19(24)29-11-18(23)21(13-4-2-1-3-5-13)15-8-9-30(27,28)12-15/h1-10,15H,11-12H2/t15-/m1/s1